Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4083277 | 0.98 | DRD2 (0.37) | DRD2DRD1DRD3DRD4CHRM3 | |
| SCHEMBL1503760 | 0.90 | DRD2 (0.40) | DRD2DRD1DRD3PDK1ROCK2 | |
| SCHEMBL12035209 | 0.88 | DRD2 (0.41) | DRD2DRD1DRD3PDK1ROCK2 | |
| Lithium Ion SCHEMBL743158 | 0.84 | DRD2 (0.33) | DRD2DRD1DRD3DRD4CHRM3 | |
| Lithium Ion SCHEMBL1503758 | 0.74 | DRD2 (0.39) | DRD2DRD3PDK1ROCK2NPC1 | |
| SCHEMBL741366 | 0.73 | DRD2 (0.35) | DRD2DRD1DRD3DRD4CHRM3 | |
| SCHEMBL1504035 | 0.73 | DRD2 (0.34) | DRD2DRD3PDK1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7315225 | 0.72 | DRD3 (0.51) | DRD2DRD3DRD4 | |
| SCHEMBL15078213 | 0.71 | RAB9A (0.57) | PDK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6725245 | 0.69 | PARP1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431370-A1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-7935824-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |